2-(3-methylisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-ethanone iodide

Systemtic Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-ethanone iodide Openeye Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(2-thienyl)ethanone iodide CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)-1-thiophen-2-ylethanone iodide IUPAC Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-thiophen-2-ylethanone iodide Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(2-thienyl)ethanone iodide Formula: C16H14INOS MolecularWeight: 395.25793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=CS3.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=CS3.[I-]

InChI

InChI=1S/C16H14NOS.HI/c1-12-9-13-5-2-3-6-14(13)10-17(12)11-15(18)16-7-4-8-19-16;/h2-10H,11H2,1H3;1H/q+1;/p-1